SCHEMBL12466787

SCHEMBL12466787

Cc1cc(C2(c3cnc4c(NCC5CCN(C)CC5)cc(Br)nn34)CC2)ccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
SYK P43405 1/20 0.39
JAK3 P52333 3/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TTK P33981 3/20 0.36
CD38 P28907 1/20 0.36
CHEK1 O14757 1/20 0.36
HSP90AA1 P07900 3/20 0.34
MAP4K1 Q92918 1/20 0.34
RAF1 P04049 1/20 0.34
ARAF P10398 1/20 0.34
BRAF P15056 1/20 0.34
HSP90AB1 P08238 2/20 0.34
RPS6KB1 P23443 1/20 0.34
TYK2 P29597 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL457466 0.81 TTK (0.41) TTK
SCHEMBL12466791 0.77 ERN1 (0.43) ERN1SYKJAK3JAK2JAK1
SCHEMBL456964 0.75 TTK (0.36) ERN1SYKTTKTYK2
SCHEMBL10279263 0.74 TTK (0.51) ERN1TTK
SCHEMBL470185 0.74 TTK (0.65) ERN1TTK
SCHEMBL469943 0.74 TTK (0.52) ERN1TTK
SCHEMBL457969 0.73 TTK (0.45) TTK
SCHEMBL470171 0.66 TTK (0.60) TTK
SCHEMBL17425403 0.66 TTK (0.64) TTK
SCHEMBL17416373 0.66 TTK (0.66) TTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed